CID 6573

1,1-dichloropropane

Structural Information

Molecular Formula
C3H6Cl2
SMILES
CCC(Cl)Cl
InChI
InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
InChIKey
WIHMGGWNMISDNJ-UHFFFAOYSA-N
Compound name
1,1-dichloropropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

5342
Patents

111.98466 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99194 115.3
[M+Na]+ 134.97388 128.4
[M+NH4]+ 130.01848 125.3
[M+K]+ 150.94782 121.6
[M-H]- 110.97738 115.8
[M+Na-2H]- 132.95933 121.2
[M]+ 111.98411 117.9
[M]- 111.98521 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe